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32205-72-4 molecular structure
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5-methoxypyrazine-2-carbaldehyde

ChemBase ID: 291365
Molecular Formular: C6H6N2O2
Molecular Mass: 138.12404
Monoisotopic Mass: 138.04292744
SMILES and InChIs

SMILES:
O=Cc1ncc(OC)nc1
Canonical SMILES:
COc1ncc(nc1)C=O
InChI:
InChI=1S/C6H6N2O2/c1-10-6-3-7-5(4-9)2-8-6/h2-4H,1H3
InChIKey:
KSOOMHYFEFVYRI-UHFFFAOYSA-N

Cite this record

CBID:291365 http://www.chembase.cn/molecule-291365.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methoxypyrazine-2-carbaldehyde
IUPAC Traditional name
5-methoxypyrazine-2-carbaldehyde
Synonyms
5-Methoxypyrazine-2-carbaldehyde
CAS Number
32205-72-4
MDL Number
MFCD10697775
PubChem SID
180676896
PubChem CID
55263563

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 55263563 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.3617326  LogD (pH = 7.4) 0.3617327 
Log P 0.3617327  Molar Refractivity 34.7197 cm3
Polarizability 13.020372 Å3 Polar Surface Area 52.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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